diazanium 2-azanyl-5-(4-azanyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate

Systemtic Name: diazanium 2-azanyl-5-(4-azanyl-3-sulfonato-phenyl)sulfonyl-benzenesulfonate Openeye Name: diammonium 2-amino-5-(4-amino-3-sulfonato-phenyl)sulfonyl-benzenesulfonate CAS Name: diammonium 2-amino-5-(4-amino-3-sulfonatophenyl)sulfonylbenzenesulfonate IUPAC Name: diazanium 2-amino-5-(4-amino-3-sulfonatophenyl)sulfonylbenzenesulfonate Traditional Name: diammonium 2-amino-5-(4-amino-3-sulfonato-phenyl)sulfonyl-besylate Formula: C12H18N4O8S3 MolecularWeight: 442.48832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[NH4+].[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[NH4+].[NH4+]

InChI

InChI=1S/C12H12N2O8S3.2H3N/c13-9-3-1-7(5-11(9)24(17,18)19)23(15,16)8-2-4-10(14)12(6-8)25(20,21)22;;/h1-6H,13-14H2,(H,17,18,19)(H,20,21,22);2*1H3